Introduction of environment variables

Vasp transition state theory tools

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graeme
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Introduction of environment variables

Post by graeme »

I've added the reading of the environmental variable VTST_BC to get the boundary conditions in the vasp2con.pl script. I think it's time to allow the boundary condition settings, along with optional printing styles to be controlled without having to modify the scripts. A variable can be read using the $ENV{VTST_VARNAME} variable in perl.
graeme
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Post by graeme »

Two variable can now be set to specify the

stdout: VTST_STDOUT
stderr: VTST_STDERR

The vfin.pl script uses these variables and copies the stdout file to the save directory, and the stderr file is erased.
graeme
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Posts: 1998
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Post by graeme »

The variable VTST_ZIP can be set to gzip (the default) or bzip2. The later tends to have a higher compression ratio.
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